Computational Physics blog
Introduction As I already revealed in the last post, I intend to have several projects with Density Functional Theory on this blog. I already have a simple project on GitHub, about a ‘quantum dot’1 with volumetric visualization of orbitals with VTK. I thought that exposing some theory in a separate post would be nice for … Read more
Introduction I already mentioned Matrix Product States in the Density Matrix Renormalization Group post. I thought it would be a nice topic to have on this blog, but since I already implemented DMRG, I’ll have something a little different related with the subject. With the information presented here (mostly in the links) you could go … Read more
Introduction As promised in the Numerical Renormalization Group post, I implemented a Density Matrix Renormalization Group program. As I start writing this post, the program is already on GitHub1. It’s quite basic, currently it is implemented only for Heisenberg model chains, for both spin 1/2 and 1. It runs only for even number of sites … Read more
Introduction After some posts about the theory it is time to present the Hartree-Fock program1. You might find the previous posts useful, along with the links in there: How to solve a quantum many-body problem, The Hartree-Fock method. Here is the program in action (the final version might have minor differences): Although it doesn’t show … Read more
Introduction Last time we ended up with a simplified Hamiltonian: and having the variational principle for help. It turns out that this simplified Hamiltonian is not simple enough. In this post I’ll expose one method that allows one to do calculations for quite complex quantum systems, the Hartree-Fock method. Because the subject is quite large, … Read more